2-(difluoromethoxy)-4-(trifluoromethoxy)aniline

C8H6F5NO2 — CID 134617226

IUPAC2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)15-6-3-4(1-2-5(6)14)16-8(11,12)13/h1-3,7H,14H2
InChIKeyVZFYDJRDDJLEOX-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.77
Rot. Bonds3

About 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline

2-(difluoromethoxy)-4-(trifluoromethoxy)aniline (PubChem CID 134617226) has the molecular formula C8H6F5NO2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
PubChem CID134617226
Molecular FormulaC8H6F5NO2
Molecular Weight243.13 g/mol
Exact Mass243.03
IUPAC Name2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C8H6F5NO2/c9-7(10)15-6-3-4(1-2-5(6)14)16-8(11,12)13/h1-3,7H,14H2
InChIKeyVZFYDJRDDJLEOX-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171384957
1-(difluoromethoxy)-2-fluoro-4-(trifluoromethoxy)benzene
CID 170836985
4-(trifluoromethoxy)-2-trimethylsilyloxyaniline
CID 167735679
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997860
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
CID 170998746
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
2-(difluoromethoxy)-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)aniline
CID 87192436
2-chloro-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]ethanone
CID 170997940
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline (CID 134617226) is 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline is Nc1ccc(OC(F)(F)F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline?
The InChIKey is VZFYDJRDDJLEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5NO2/c9-7(10)15-6-3-4(1-2-5(6)14)16-8(11,12)13/h1-3,7H,14H2.
What are the key properties of 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline?
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline has a molecular weight of 243.13 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 134617226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).